N-[(E)-but-2-enyl]oxolan-3-amine

C8H15NO — CID 107899108

IUPACN-[(E)-but-2-enyl]oxolan-3-amine
SMILESC/C=C/CNC1CCOC1
InChIInChI=1S/C8H15NO/c1-2-3-5-9-8-4-6-10-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeySFAMBSIPLXUBKX-NSCUHMNNSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-[(E)-but-2-enyl]oxolan-3-amine

N-[(E)-but-2-enyl]oxolan-3-amine (PubChem CID 107899108) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]oxolan-3-amine
PubChem CID107899108
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E)-but-2-enyl]oxolan-3-amine
SMILESC/C=C/CNC1CCOC1
InChIInChI=1S/C8H15NO/c1-2-3-5-9-8-4-6-10-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeySFAMBSIPLXUBKX-NSCUHMNNSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(3R)-oxolan-3-yl]amino]but-2-enoate
CID 123363006
N-(2,2-diethylbutyl)oxolan-3-amine
CID 115694918
(E)-1-[(3R)-3-methylpiperidin-1-yl]-4-[[(3S)-oxolan-3-yl]amino]but-2-en-1-one
CID 144509770
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
(E)-4-(oxan-4-ylamino)but-2-enoic acid
CID 103239318
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]oxolan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]oxolan-3-amine (CID 107899108) is N-[(E)-but-2-enyl]oxolan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]oxolan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]oxolan-3-amine is C/C=C/CNC1CCOC1.
What is the InChIKey of N-[(E)-but-2-enyl]oxolan-3-amine?
The InChIKey is SFAMBSIPLXUBKX-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-5-9-8-4-6-10-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]oxolan-3-amine?
N-[(E)-but-2-enyl]oxolan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]oxolan-3-amine is sourced from PubChem (CID 107899108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).