N-carbamoyl-2-propan-2-ylpent-4-enamide

C9H16N2O2 — CID 10715

IUPACN-carbamoyl-2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
InChIKeyKSUUMAWCGDNLFK-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.03
Rot. Bonds4

About N-carbamoyl-2-propan-2-ylpent-4-enamide

N-carbamoyl-2-propan-2-ylpent-4-enamide (PubChem CID 10715) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-carbamoyl-2-propan-2-ylpent-4-enamide.

Molecular Properties

Compound NameN-carbamoyl-2-propan-2-ylpent-4-enamide
PubChem CID10715
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-carbamoyl-2-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
InChIKeyKSUUMAWCGDNLFK-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-carbamoyl-2-propan-2-ylpent-3-enamide
CID 5354355
Allylisopropylmalonylharnstoff
CID 129678820
Allylethylacetylbiuret
CID 20846579
1-Methyl-3-(2-allyl-pent-4-enoyl)-urea
CID 586937
(2-Allyl-isohexanoyl)-urea
CID 588445
N-carbamoyl-2-propylpent-4-enamide
CID 231347
N-carbamothioyl-2-propan-2-ylpent-4-enamide
CID 14205304
N-carbamoyl-2-ethylbut-3-enamide
CID 163943952
N-carbamoyl-3-(2,2-dimethylpropyl)hex-5-enamide
CID 175127327
N-carbamoyl-2-propan-2-ylpent-3-enamide
CID 222036
n-Carbamoyl-2-(prop-2-en-1-yl)pent-4-enamide
CID 231288
N-carbamoyl-2-prop-2-enylheptanamide
CID 231346

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-propan-2-ylpent-4-enamide?
The IUPAC name of N-carbamoyl-2-propan-2-ylpent-4-enamide (CID 10715) is N-carbamoyl-2-propan-2-ylpent-4-enamide.
What is the SMILES notation for N-carbamoyl-2-propan-2-ylpent-4-enamide?
The canonical SMILES for N-carbamoyl-2-propan-2-ylpent-4-enamide is C=CCC(C(=O)NC(N)=O)C(C)C.
What is the InChIKey of N-carbamoyl-2-propan-2-ylpent-4-enamide?
The InChIKey is KSUUMAWCGDNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13).
What are the key properties of N-carbamoyl-2-propan-2-ylpent-4-enamide?
N-carbamoyl-2-propan-2-ylpent-4-enamide has a molecular weight of 184.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-propan-2-ylpent-4-enamide is sourced from PubChem (CID 10715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).