(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H21NO — CID 11894734

IUPAC(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H21NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h3-4,11-13H,1-2,5-10H2/t11-,12+,13-/m0/s1
InChIKeyVQPSPKAMDKSVDU-XQQFMLRXSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds5

About (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11894734) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11894734
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H21NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h3-4,11-13H,1-2,5-10H2/t11-,12+,13-/m0/s1
InChIKeyVQPSPKAMDKSVDU-XQQFMLRXSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
cis-(1S,2R)-2-[bis(prop-2-enyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7040089
N-(cyclopropylmethyl)-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 115532495
(1S,2R,3S,4S)-3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51008257
N-(3-aminopropyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363750
3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 73136216
2-[(2-methylcyclopentanecarbonyl)-prop-2-enylamino]acetic acid
CID 107175695
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106611174
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
N-(2-amino-2-hydroxyiminoethyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 76927861
methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
CID 43409497
N-benzyl-N-(2-chloroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 63390711

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 11894734) is (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide is C=CCN(CC=C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VQPSPKAMDKSVDU-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-15(8-4-2)14(16)13-10-11-5-6-12(13)9-11/h3-4,11-13H,1-2,5-10H2/t11-,12+,13-/m0/s1.
What are the key properties of (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N,N-bis(prop-2-enyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11894734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).