N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide

C7H10ClNO — CID 88774586

IUPACN-(2-chloroprop-2-enyl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC(=C)Cl
InChIInChI=1S/C7H10ClNO/c1-3-4-9(6-10)5-7(2)8/h3,6H,1-2,4-5H2
InChIKeyKVJHSHPCBRGCFC-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.38
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide

N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide (PubChem CID 88774586) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-prop-2-enylformamide
PubChem CID88774586
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC NameN-(2-chloroprop-2-enyl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC(=C)Cl
InChIInChI=1S/C7H10ClNO/c1-3-4-9(6-10)5-7(2)8/h3,6H,1-2,4-5H2
InChIKeyKVJHSHPCBRGCFC-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-prop-2-enylformamide
CID 54106306
3-[bis(prop-2-enyl)amino]prop-2-enamide
CID 87667924
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
N-amino-N-prop-2-enylformamide
CID 87139265
N-ethenyl-N-prop-2-enylformamide
CID 57465791
(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
CID 101477346
2-bromo-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 13113536
N-carbamoyl-N-prop-2-enylformamide
CID 87815239
N-nitro-N-prop-2-enylformamide
CID 173242570
3-[bis(prop-2-enyl)amino]-2,2-dichloropropanal
CID 167227882
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide (CID 88774586) is N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide is C=CCN(C=O)CC(=C)Cl.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide?
The InChIKey is KVJHSHPCBRGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-3-4-9(6-10)5-7(2)8/h3,6H,1-2,4-5H2.
What are the key properties of N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide?
N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide has a molecular weight of 159.62 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide is sourced from PubChem (CID 88774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).